Submission Details

CLI-TLC-0c07150b
Molecule(s):
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C(C)C

CLI-TLC-0c07150b-1

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C(C)C

Design Rationale:

Paecilopeptin aldehyde positioned near cystein 145, overlays GC373_enzyme_inhibitor nicely ( eoncombo score it's 1.2850) LPIE was -11.3302, perhaps a prodrug can be investigated.

Discussion:

Contributor: Clinton Threlfall, TLCT - Wed, 28 Apr 2021 14:10:43 +0000